Laser powder bed fusion (LPBF) additive manufacturing (AM) has received widespread attention due to its ability to produce parts with complicated design and better surface finish compared to other additive techniques. LPBF uses a laser heat source to melt layers of powder particles and manufactures a part based on the CAD design. This process can benefit significantly through computational modeling. The objective of this thesis was to understand the thermal transport, and fluid flow phenomena of the process, and to optimize the main process parameters such as laser power and scan speed through a combination of computational, experimental, and statistical analysis. A multi-physics model was built using to model temperature profile, bead geometry and elemental evaporation in powder bed process using a non-gaussian interaction between laser heat source and metallic powder. Owing to the scarcity of thermo-physical properties of metallic powders in literature, thermal conductivity, diffusivity, and heat capacity was experimentally tested up to a temperature of 1400 degrees C. The values were used in the computational model, which improved the results significantly. The computational work was also used to assess the impact of fluid flow around melt pool. Dimensional analysis was conducted to determine heat transport mode at various laser power/scan speed combinations. Convective heat flow proved to be the dominant form of heat transfer at higher energy input due to violent flow of the fluid around the molten region, which can also create keyhole effect. The last part of the thesis focused on gaining useful information about several features of the bead area such as contact angle, porosity, voids and melt pool that were obtained using several combinations of laser power and scan speed. These features were quantified using process learning, which was then used to conduct a full factorial design that allows to estimate the effect of the process parameters on the output features. Both single and multi-response analysis are applied to analyze the output response. It was observed that laser power has more influential effect on all the features. Multi response analysis showed 150 W laser power and 200 mm/s produced bead with best possible features.

Past experiments have revealed several unusual properties about interstitial hydrogen atoms in niobium. Absorption isotherms showed that niobium absorbs a large amount of hydrogen without changing its crystal structure. These isotherms also revealed that the interactions between hydrogen atoms in niobium are a combination of long-range attraction and short-range repulsion and exhibit many-body characteristics. Other experiments reported the facile thermal diffusion of hydrogen and deuterium in niobium. Contrary to the classical theory of diffusion, these experiments revealed a break in the activation energy of hydrogen diffusion at low temperatures, but no such break was reported for deuterium. Finally, experiments report a phenomenon called electromigration, where hydrogen atoms inside niobium respond to weak electric fields as if they had a positive effective charge. These experimental results date back to when tools like density functional theory (DFT) and modern high-performance computing abilities did not exist. Therefore, the current understanding of these properties is primarily based on inferences from experimental results. Understanding these properties at a deeper level, besides being scientifically important, can profoundly affect various applications involving hydrogen separation and transport. The high-level goal of this work is to use first-principles methods to explain the discussed properties of interstitial hydrogen in niobium. DFT calculations were used to study hydrogen atoms' site preference in niobium and its effect on the cell shape and volume of the host cell. The nature and origin of the interactions between hydrogen atoms were studied through interaction energy, structural, partial charge, and electronic densities of state analysis. A phenomenological model with fewer parameters than traditional models was developed and fit to the experimental absorption data. Thermodynamic quantities such as the enthalpy and entropy of hydrogen dissolution in niobium were derived from this model. The enthalpy of hydrogen dissolution in niobium was also calculated using DFT by sampling different geometric configurations and performing an ensemble-based averaging. Further work is required to explain the observed isotope effects for hydrogen diffusion in niobium and the electromigration phenomena. Applications of the niobium-hydrogen system require studying hydrogen's behavior on niobium's surface.

Stiffness and flexibility are essential in many fields, including robotics, aerospace, bioengineering, etc. In recent years, origami-based mechanical metamaterials were designed for better mechanical properties including tunable stiffness and tunable collapsibility. However, in existing studies, the tunable stiffness is only with limited range and limited controllability. To overcome these challenges, two objectives were proposed and achieved in this dissertation: first, to design mechanical metamaterials with metamaterials with selective stiffness and collapsibility; second, to design mechanical metamaterials with in-situ tunable stiffness among positive, zero, and negative.In the first part, triangulated cylinder origami was employed to build deployable mechanical metamaterials through folding and unfolding along the crease lines. These deployable structures are flexible in the deploy direction so that it can be easily collapsed along the same way as it was deployed. An origami-inspired mechanical metamaterial was designed for on-demand deployability and selective collapsibility: autonomous deployability from the collapsed state and selective collapsibility along two different paths, with low stiffness for one path and substantially high stiffness for another path. The created mechanical metamaterial yields unprecedented load bearing capability in the deploy direction while possessing great deployability and collapsibility. The principle in this prospectus can be utilized to design and create versatile origami-inspired mechanical metamaterials that can find many applications. In the second part, curved origami patterns were designed to accomplish in situ stiffness manipulation covering positive, zero, and negative stiffness by activating predefined creases on one curved origami pattern. This elegant design enables in situ stiffness switching in lightweight and space-saving applications, as demonstrated through three robotic-related components. Under a uniform load, the curved origami can provide universal gripping, controlled force transmissibility, and multistage stiffness response. This work illustrates an unexplored and unprecedented capability of curved origami, which opens new applications in robotics for this particular family of origami patterns.